SCHEMBL10054041

SCHEMBL10054041

CCN1C(=O)c2ccc(C)cc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
CHRM2 P08172 3/20 0.55
CA1 P00915 3/20 0.53
CA9 Q16790 3/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 1/20 0.50
CYP1B1 Q16678 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13903462 0.86 CHRM2 (0.57) CHRM2CA1CA9CA2CA12
SCHEMBL15046557 0.85 CHRM2 (0.60) CHRM2CA1CA9CA2CA12
SCHEMBL14338933 0.82 CHRM2 (0.66) CHRM2CA1CA9CA2CA4
SCHEMBL2665904 0.80 CHRM2 (0.64) CHRM2CA1CA9CA2CA4
SCHEMBL25310930 0.79 CHRM2 (0.59) CHRM2CA1CA9CA2CA12
SCHEMBL4471054 0.79 RAB9A (0.59) CHRM2CA1CA9CA2CA12
SCHEMBL6254603 0.79 RAB9A (0.59) CHRM2CA1CA9CA2CA12
SCHEMBL10053599 0.79 KDM4E (0.69) CHRM2CA1CA9CA2CA12
SCHEMBL30521181 0.79 CHRM2 (0.59) CHRM2CA1CA9CA2CA12
SCHEMBL17714975 0.78 POLB (0.57) POLBCA1CA9CA2CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-20230121151-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
WO-2022042577-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND 北京普祺医药科技有限公司 2022-03-03 WO disclosed
US-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 US disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-10-27 US disclosed
WO-2011115217-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST PATTERN FORMATION METHOD JSR株式会社 (JP) 2011-09-22 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MRPS27, MRPS22, MRPS23 POLB 1398/4885CHRM2 4885/4885CA1 3560/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA POLB 2716/4885CHRM2 1298/4885CA1 4667/4885
US-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES ACHE, DDT, BCHE POLB 3350/4885CHRM2 179/4885CA1 191/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 POLB 640/4885CHRM2 613/4885CA1 3300/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.